5T75
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![BU of 5t75 by Molmil](/molmil-images/mine/5t75) | Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2 | Descriptor: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5TED
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![BU of 5ted by Molmil](/molmil-images/mine/5ted) | Effector binding domain of QuiR in complex with shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, His Tag peptide, Lmo0488 protein | Authors: | Prezioso, S.M, Christendat, D. | Deposit date: | 2016-09-21 | Release date: | 2017-10-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Shikimate Induced Transcriptional Activation of Protocatechuate Biosynthesis Genes by QuiR, a LysR-Type Transcriptional Regulator, in Listeria monocytogenes. J. Mol. Biol., 430, 2018
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5T8B
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5PZQ
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![BU of 5pzq by Molmil](/molmil-images/mine/5pzq) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid | Descriptor: | 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid, Fructose-1,6-bisphosphatase 1 | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid To be published
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5Q07
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![BU of 5q07 by Molmil](/molmil-images/mine/5q07) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea To be published
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5U9F
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![BU of 5u9f by Molmil](/molmil-images/mine/5u9f) | 3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure II) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A. | Deposit date: | 2016-12-16 | Release date: | 2017-03-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of ribosome rescue by ArfA and RF2. Elife, 6, 2017
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5TPP
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5U9G
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![BU of 5u9g by Molmil](/molmil-images/mine/5u9g) | 3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure I) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A. | Deposit date: | 2016-12-16 | Release date: | 2017-03-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of ribosome rescue by ArfA and RF2. Elife, 6, 2017
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5TUB
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![BU of 5tub by Molmil](/molmil-images/mine/5tub) | Crystal Structure of the Shark TBC1D15 GAP Domain | Descriptor: | Shark TBC1D15 GTPase-activating Protein | Authors: | Chen, Y.-N, Wang, W, Cheng, D, Ge, Y, Gu, X, Zhou, X.E, Ye, F, Xu, H.E, Lv, Z. | Deposit date: | 2016-11-05 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of TBC1D15 GTPase-activating protein (GAP) domain and its activity on Rab GTPases. Protein Sci., 26, 2017
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5PZW
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![BU of 5pzw by Molmil](/molmil-images/mine/5pzw) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[5-[(3-chlorophenyl)sulfonylcarbamoylamino]pentyl]urea | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Fructose-1,6-bisphosphatase 1, N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[5-[(3-chlorophenyl)sulfonylcarbamoylamino]pentyl]urea To be published
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5TPQ
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![BU of 5tpq by Molmil](/molmil-images/mine/5tpq) | E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant | Descriptor: | Alkaline phosphatase, PHOSPHATE ION, ZINC ION | Authors: | Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D. | Deposit date: | 2016-10-20 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution. J. Biol. Chem., 292, 2017
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5PNT
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![BU of 5pnt by Molmil](/molmil-images/mine/5pnt) | CRYSTAL STRUCTURE OF A HUMAN LOW MOLECULAR WEIGHT PHOSPHOTYROSYL PHOSPHATASE. IMPLICATIONS FOR SUBSTRATE SPECIFICITY | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LOW MOLECULAR WEIGHT PHOSPHOTYROSYL PHOSPHATASE | Authors: | Zhang, M, Stauffacher, C, Lin, D, Vanetten, R. | Deposit date: | 1998-04-29 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a human low molecular weight phosphotyrosyl phosphatase. Implications for substrate specificity. J.Biol.Chem., 273, 1998
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5TUC
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![BU of 5tuc by Molmil](/molmil-images/mine/5tuc) | Crystal Structure of the Sus TBC1D15 GAP Domain | Descriptor: | Sus TBC1D15 GAP Domain | Authors: | Chen, Y.-N, Wang, W, Cheng, D, Ge, Y, Gu, X, Zhou, X.E, Ye, F, Xu, H.E, Lv, Z. | Deposit date: | 2016-11-05 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of TBC1D15 GTPase-activating protein (GAP) domain and its activity on Rab GTPases. Protein Sci., 26, 2017
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5N8I
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![BU of 5n8i by Molmil](/molmil-images/mine/5n8i) | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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5T4O
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![BU of 5t4o by Molmil](/molmil-images/mine/5t4o) | Autoinhibited E. coli ATP synthase state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | Deposit date: | 2016-08-29 | Release date: | 2016-12-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states. Elife, 5, 2016
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5NG5
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![BU of 5ng5 by Molmil](/molmil-images/mine/5ng5) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | Descriptor: | 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, ... | Authors: | Wang, Z, Fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | Deposit date: | 2017-03-16 | Release date: | 2017-04-19 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
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5T74
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![BU of 5t74 by Molmil](/molmil-images/mine/5t74) | Human carboanhydrase F131C_C206S double mutant in complex with 14 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5T8N
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5NG7
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![BU of 5ng7 by Molmil](/molmil-images/mine/5ng7) | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | Deposit date: | 2017-03-17 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments. Front Bioeng Biotechnol, 6, 2018
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5NGF
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![BU of 5ngf by Molmil](/molmil-images/mine/5ngf) | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | Authors: | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | Deposit date: | 2017-03-17 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Nature, 550, 2017
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5NGM
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![BU of 5ngm by Molmil](/molmil-images/mine/5ngm) | 2.9S structure of the 70S ribosome composing the S. aureus 100S complex | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Amunts, A, Yonath, A. | Deposit date: | 2017-03-18 | Release date: | 2017-10-04 | Last modified: | 2018-11-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus. Nat Commun, 8, 2017
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5TBF
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5NK8
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![BU of 5nk8 by Molmil](/molmil-images/mine/5nk8) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKG
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![BU of 5nkg by Molmil](/molmil-images/mine/5nkg) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NMX
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![BU of 5nmx by Molmil](/molmil-images/mine/5nmx) | Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD and NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, MAGNESIUM ION, ... | Authors: | Scheidig, A, Kubitza, C, Faust, A, Ober, D. | Deposit date: | 2017-04-07 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of pyrrolizidine alkaloid N-oxygenase from the grasshopper Zonocerus variegatus. Acta Crystallogr D Struct Biol, 74, 2018
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